3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C13H17FN2O — CID 171964645

IUPAC3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1ccc(F)cn1)C2
InChIInChI=1S/C13H17FN2O/c1-16-10-3-4-11(16)7-13(17,6-10)12-5-2-9(14)8-15-12/h2,5,8,10-11,17H,3-4,6-7H2,1H3
InChIKeySXGZRBGGKWKFPF-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.66
Rot. Bonds1

About 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964645) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964645
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1ccc(F)cn1)C2
InChIInChI=1S/C13H17FN2O/c1-16-10-3-4-11(16)7-13(17,6-10)12-5-2-9(14)8-15-12/h2,5,8,10-11,17H,3-4,6-7H2,1H3
InChIKeySXGZRBGGKWKFPF-UHFFFAOYSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 54305859
3-(5-fluoro-2-pyridinyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171964652
8-methyl-3-(2,4,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962515
3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963783
8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962490
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171957840
3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659
3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 57254654
9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962475
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959192

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171964645) is 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(c1ccc(F)cn1)C2.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SXGZRBGGKWKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16-10-3-4-11(16)7-13(17,6-10)12-5-2-9(14)8-15-12/h2,5,8,10-11,17H,3-4,6-7H2,1H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 236.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).